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Basic Information
CAS No.: 7719-12-2
Name: Phosphorus trichloride
Article Data: 296
Molecular Structure:
Molecular Structure of 7719-12-2 (Phosphorus trichloride)
Formula: PCl3
Molecular Weight: 137.333
Synonyms: Phosphoruschloride (PCl3) (8CI);Phosphine, trichloro-;Phosphorous chloride;Phosphoruschloride (Cl6P2);Trichlorophosphine;HSDB 1031;Trichlorophosphine;Fosfortrichloride;
EINECS: 231-749-3
Density: 1.574 g/cm3
Melting Point: -93.6 °C (179.6 K)
Boiling Point: 76.1 °C (349.3 K)
Flash Point: 76°C
Solubility: Soluble in benzene, ether, chloroform, halogenated organic solvents
Appearance: colorless or slight yellow liquid
Hazard Symbols: VeryT+,CorrosiveC
Risk Codes: 14-26/28-29-35-48/20-40
Safety: 26-36/37/39-45-7/8-43-28
Transport Information: UN 3390 6.1/PG 1
PSA: 13.59000
LogP: 2.92970
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Consensus Reports

EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 0.2 ppm; STEL 0.5 ppm
ACGIH TLV: TWA 0.2 ppm; STEL 0.5 ppm
DFG MAK: 0.5 ppm (2.8 mg/m3)
DOT Classification:  8; Label: Corrosive, Poison

Analytical Methods

For occupational chemical analysis use NIOSH: Phosphorus Trichloride, 6402.

Specification

The Phosphorus trichloride with CAS registry number of 7719-12-2 is also known as Phosphine, trichloro-. The IUPAC name is Trichlorophosphane. It belongs to product categories of Inorganics; Inorganic Chemicals; Chlorination Micro/Nanoelectronics; C-X Bond Formation (Halogen); Electronic Chemicals; Others; Synthetic Reagents; Chlorination. Its EINECS registry number is 231-749-3. In addition, the formula is Cl3P and the molecular weight is 137.33. This chemical is a colorless or slight yellow liquid and should be sealed in cool, ventilated and dry room.

Physical properties about Phosphorus trichloride are: (1)ACD/LogP: 3.84; (2)ACD/LogD (pH 5.5): 3.84; (3)ACD/LogD (pH 7.4): 3.84; (4)ACD/BCF (pH 5.5): 489.02; (5)ACD/BCF (pH 7.4): 489.02; (6) Polar Surface Area: 13.59Å2; (7)Enthalpy of Vaporization: 30.5 kJ/mol; (8)Boiling Point: 75.5 °C at 760 mmHg; (9)Vapour Pressure: 115 mmHg at 25 °C.

Preparation of Phosphorus trichloride: it is prepared industrially by the reaction of chlorine with a refluxing solution of white phosphorus.

P4+6Cl2→4PCl3

Uses of Phosphorus trichloride: it is used to prepared tetra-N-ethyl-phosphorodiamidous acid chloride by reaction with diethylamine. This reaction occurs with solvent petroleum ether at the temperature of -75~25 °C and the yield is about 61%. It is also used for herbicide, insecticide, plasticiser, oil additive, and flame retardant.

Phosphorus trichloride is used to prepared tetra-N-ethyl-phosphorodiamidous acid chloride by reaction with diethylamine.

When you are using this chemical, please be cautious about it. It reacts violently with water and liberates toxic gas. It also may cause burns. As a chemical, it has danger of serious damage to health by prolonged exposure through inhalation. However, there is limited evidence of a carcinogenic effect. During using it, wear suitable protective clothing, gloves and eye/face protection. Keep container tightly closed and dry. After contact with skin, wash immediately. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: P(Cl)(Cl)Cl
2. InChI: InChI=1S/Cl3P/c1-4(2)3
3. InChIKey: FAIAAWCVCHQXDN-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LC50 inhalation 50ppm/4H (50ppm) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: IRRITABILITY

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
American Industrial Hygiene Association Journal. Vol. 25, Pg. 470, 1964.
mammal (species unspecified) LD50 oral 350mg/kg (350mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.
rabbit LDLo skin 1260mg/kg (1260mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

LIVER: CHANGE IN GALL BLADDER STRUCTURE OR FUNCTION

BLOOD: OTHER CHANGES
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 71, 1990.
rat LC50 inhalation 104ppm/4H (104ppm) LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BLOOD: HEMORRHAGE
American Industrial Hygiene Association Journal. Vol. 25, Pg. 470, 1964.
rat LD50 oral 18mg/kg (18mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

GASTROINTESTINAL: PERITONITIS
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 71, 1990.